Structural Signature of Plastic Deformation in （结构塑性变形的签名）.pdfVIP

week ending PRL 106, 135503 (2011) P H Y S I C A L R E V I E W L E T T E R S 1 APRIL 2011 Structural Signature of Plastic Deformation in Metallic Glasses H. L. Peng,1,2 M. Z. Li,2,* and W. H. Wang1 1Institute of Physics, Chinese Academy of Sciences, Beijing 100190 China 2Department of Physics, Renmin University of China, Beijing 100872 China (Received 14 December 2010; published 30 March 2011) The structure feature of a model CuZr metallic glass during deformation is investigated by molecular dynamics simulations. A spatially heterogeneous irreversible rearrangement is observed in terms of nonaffine displacement. We find that regions with smaller nonaffine displacement have more Voronoi pentagons, while in those with larger nonaffine displacement other types of faces are more populated. We use the degree of local fivefold symmetry (LFFS) as the structural indicator to predict plastic deformation of local structures and find that the plastic events prefer to be initiated in regions with a lower degree of LFFS and propagate toward regions with a higher degree of LFFS. DOI: 10.1103/PhysRevLett.106.135503 PACS numbers: 62.20.F , 61.43.Bn, 61.43.Dq In amorphous solids, it is crucial to find a good indicator In this Letter, we performed MD simulation studies with parameter to establish the structure-properties correlation. the LAMMPS code [22] and used the degree of LFFS as the For instance, the dynamical